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- W2030353768 abstract "Electronic structure and spectroscopic properties of the ground and low-lying excited states of SnSi within 4 eV have been investigated by using a multireference singles and doubles configuration interaction (MRDCI) method that includes relativistic effective core potentials. Potential energy curves of a number of Lambda-S states of singlet, triplet, and quintet spin multiplicities are constructed. Spectroscopic parameters (T(e), r(e), omega(e), D(e), and mu(e)) of 27 bound Lambda-S states are reported. The ground state of SnSi belongs to the X(3)Sigma(-) symmetry with an estimated dissociation energy (D(e)) of 2.49 eV. However, with the inclusion of the spin-orbit coupling, D(e) reduces to 2.11 eV. Spectroscopic properties of at least 36 Omega states are determined. Transition probabilities of several singlet-singlet and triplet-triplet transitions are calculated. Partial radiative lifetimes of some of these transitions are estimated. A number of weak Omega-Omega transitions with partial radiative lifetimes of the order of milliseconds or more is also predicted here." @default.
- W2030353768 created "2016-06-24" @default.
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- W2030353768 date "2010-06-15" @default.
- W2030353768 modified "2023-09-25" @default.
- W2030353768 title "Excited States of SnSi: A Configuration Interaction Study" @default.
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- W2030353768 doi "https://doi.org/10.1021/jp103259y" @default.
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